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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.molxyz.XyzReader
public class XyzReader
Minnesota SuperComputer Center XYZ file format simple symmetry extension via load command: 9/2006 hansonr@stolaf.edu setAtomCoord(atom) applySymmetry() extended to read XYZI files (Bob's invention -- allows isotope numbers) extended to read XYZ files with fractional charges as, for example: http://www.ccl.net/cca/software/SOURCES/FORTRAN/molden/test/reacpth.xyz http://web.archive.org/web/20000120031517/www.msc.edu/msc/docs/xmol/v1.3/g94toxyz.c
Field Summary |
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Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader |
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ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, desiredModelNumber, desiredSpaceGroupIndex, doApplySymmetry, filter, getHeader, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveDesiredModel, iHaveSymmetryOperators, iHaveUnitCell, latticeCells, line, modelNumber, needToApplySymmetry, next, notionalUnitCell, prevline, primitiveLatticeVectors, ptLine, reader, readerName, spaceGroup |
Constructor Summary | |
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XyzReader()
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Method Summary | |
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(package private) int |
readAtomCount()
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(package private) void |
readAtoms(int modelAtomCount)
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AtomSetCollection |
readAtomSetCollection(java.io.BufferedReader reader)
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(package private) void |
readAtomSetName()
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(package private) void |
skipAtomSet(int modelAtomCount)
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public XyzReader()
Method Detail |
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public AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class AtomSetCollectionReader
void skipAtomSet(int modelAtomCount) throws java.lang.Exception
java.lang.Exception
int readAtomCount() throws java.lang.Exception
java.lang.Exception
void readAtomSetName() throws java.lang.Exception
java.lang.Exception
void readAtoms(int modelAtomCount) throws java.lang.Exception
java.lang.Exception
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